![ZYGOPHYLOSIDE-E;3-O-[BETA-D-2-O-SULPHONYL-QUINOVOPYRANOSYL]-QUINOVIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/KQQSlEyWrVL/structure.png?h=300&w=458 "ZYGOPHYLOSIDE-E;3-O-[BETA-D-2-O-SULPHONYL-QUINOVOPYRANOSYL]-QUINOVIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | HyBObRQpQnW |
|---|---|
| InChI | InChI=1S/C42H66O17S/c1-19-10-15-41(37(51)58-34-32(48)30(46)29(45)23(18-43)56-34)16-17-42(36(49)50)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)57-35-33(59-60(52,53)54)31(47)28(44)21(3)55-35/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,52,53,54)/t19-,20+,21-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | DDVZERLQXNLWHT-KZNIDIGNSA-N |
| Mol Weight | 875.0 g/mol |
| Molecular Formula | C42H66O17S |
| Exact Mass | 874.402072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQQSlEyWrVL |
|---|---|
| Name | 3-O-[BETA-D-2-O-3-O-SULPHONYLQUINOVOPYRANOSYL]-QUINOVIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O17S |
| InChI | InChI=1S/C42H66O17S/c1-19-10-15-41(37(51)58-34-32(48)30(46)29(45)23(18-43)56-34)16-17-42(36(49)50)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)57-35-33(59-60(52,53)54)31(47)28(44)21(3)55-35/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,52,53,54)/t19-,20+,21-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | DDVZERLQXNLWHT-KZNIDIGNSA-N |
| Literature Reference Author | K.POELLMANN,S.GAGEL,M.H.A.ELGAMAL,K.H.SHAKER,K.SEIFERT |
| Literature Reference Citation | PHYTOCHEM.,44,485(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00552-3 |
| Molecular Weight | 875.036 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA141 |